MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007033
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007033
RECORD_TITLE: MYRTENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: MYRTENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O
CH$EXACT_MASS: 152.12012
CH$SMILES: OCC(=C2)C(C1)C(C)(C)C(C2)1
CH$IUPAC: InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3
CH$LINK: INCHIKEY
RXBQNMWIQKOSCS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00862089
AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004l-9200000000-7a93d65b58c2e5897441
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
27 11.49 115
28 1.41 14
29 6.85 69
31 8.91 89
39 17.07 171
40 2.66 27
41 24.07 241
42 2.31 23
43 12.61 126
50 1.58 16
51 6.56 66
52 3.07 31
53 9.79 98
54 1.7 17
55 10.61 106
56 1.29 13
57 1.4 14
59 1.73 17
63 1.75 18
65 6.57 66
66 2.99 30
67 12.11 121
68 3.07 31
69 4.52 45
70 1.54 15
77 16.95 170
78 6.08 61
79 99.99 999
80 8.97 90
81 7.94 79
82 2.71 27
83 2.73 27
85 2.43 24
91 40.68 407
92 8.19 82
93 16.66 167
94 2.65 27
95 4.79 48
96 3.03 30
103 1.73 17
105 7.63 76
106 2.86 29
107 7.41 74
108 28.14 281
109 8.01 80
117 1.36 14
119 14.73 147
120 1.39 14
121 8.35 84
134 1.58 16
152 4.45 45
//